SCHEMBL9679446

SCHEMBL9679446

CN(C)c1ccc(C(=O)C2(N3CCOCC3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9679919 0.99 MAPT (0.48) MAPTGFERSMN1; SMN2TP53MEN1
SCHEMBL10458636 0.83 THRB (0.44) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL9681734 0.83 CYP3A4 (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9680457 0.82 GSK3B (0.49) MAPTSMN1; SMN2TP53GAALMNA
SCHEMBL12013268 0.82 LMNA (0.43) MAPTSMN1; SMN2LMNATHRBHPGD
SCHEMBL10458802 0.82 ATM (0.43) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL274970 0.82 SMN1; SMN2 (0.51) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10456871 0.81 CYP3A4 (0.55) MAPTSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL12855171 0.80 THRB (0.44) SMN1; SMN2KMT2ALMNATHRBHPGD
SCHEMBL306036 0.79 THRB (0.44) SMN1; SMN2KMT2ALMNATHRBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed